3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide

C24H26N2O4S2 — CID 38012277

IUPAC3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide
SMILESO=C(NCCCOCc1ccccc1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C24H26N2O4S2/c27-24(25-12-5-14-30-18-19-6-2-1-3-7-19)20-8-4-9-22(16-20)32(28,29)26-13-10-23-21(17-26)11-15-31-23/h1-4,6-9,11,15-16H,5,10,12-14,17-18H2,(H,25,27)
InChIKeyCZVONLCBIVGTQE-UHFFFAOYSA-N
MW470.62 g/mol
LogP3.83
Rot. Bonds9

About 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide (PubChem CID 38012277) has the molecular formula C24H26N2O4S2 and a molecular weight of 470.62 g/mol. Its IUPAC name is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide.

Molecular Properties

Compound Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide
PubChem CID38012277
Molecular FormulaC24H26N2O4S2
Molecular Weight470.62 g/mol
Exact Mass470.13
IUPAC Name3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide
SMILESO=C(NCCCOCc1ccccc1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1
InChIInChI=1S/C24H26N2O4S2/c27-24(25-12-5-14-30-18-19-6-2-1-3-7-19)20-8-4-9-22(16-20)32(28,29)26-13-10-23-21(17-26)11-15-31-23/h1-4,6-9,11,15-16H,5,10,12-14,17-18H2,(H,25,27)
InChIKeyCZVONLCBIVGTQE-UHFFFAOYSA-N
XLogP3.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(2-phenoxyethyl)benzamide
CID 32935559
N-(3-aminopropyl)-3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzamide;hydrochloride
CID 119408776
methyl 7-[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]heptanoate
CID 46441919
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(thiophen-3-ylmethyl)benzamide
CID 55688312
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(4-propan-2-yloxyphenyl)ethyl]benzamide
CID 33160615
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[3-oxo-3-(propylamino)propyl]benzamide
CID 55977376
3-[[[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 32919519
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120832035
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]benzamide
CID 46578076
N-butyl-3-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)benzamide
CID 26590878
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 39695193
N-(3-phenylpropyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 7688937

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide?
The IUPAC name of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide (CID 38012277) is 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide.
What is the SMILES notation for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide?
The canonical SMILES for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide is O=C(NCCCOCc1ccccc1)c1cccc(S(=O)(=O)N2CCc3sccc3C2)c1.
What is the InChIKey of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide?
The InChIKey is CZVONLCBIVGTQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O4S2/c27-24(25-12-5-14-30-18-19-6-2-1-3-7-19)20-8-4-9-22(16-20)32(28,29)26-13-10-23-21(17-26)11-15-31-23/h1-4,6-9,11,15-16H,5,10,12-14,17-18H2,(H,25,27).
What are the key properties of 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide?
3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide has a molecular weight of 470.62 g/mol, XLogP of 3.83, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-ylsulfonyl)-N-(3-phenylmethoxypropyl)benzamide is sourced from PubChem (CID 38012277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).